2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile

C18H21N3 — CID 43786451

IUPAC2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
SMILESCc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)c(C)n1
InChIInChI=1S/C18H21N3/c1-12-11-13(2)20-14(3)18(12)15(4)21-17-7-5-16(6-8-17)9-10-19/h5-8,11,15,21H,9H2,1-4H3
InChIKeyHVZTZIMMXZQCJU-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.25
Rot. Bonds4

About 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile

2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile (PubChem CID 43786451) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
PubChem CID43786451
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
SMILESCc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)c(C)n1
InChIInChI=1S/C18H21N3/c1-12-11-13(2)20-14(3)18(12)15(4)21-17-7-5-16(6-8-17)9-10-19/h5-8,11,15,21H,9H2,1-4H3
InChIKeyHVZTZIMMXZQCJU-UHFFFAOYSA-N
XLogP4.25
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43760599
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
3-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 43771050
3,5-difluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 43765047
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
CID 43776909
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2,6-dichloro-4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenol
CID 107679467
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
3-ethoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]aniline
CID 60935217
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile (CID 43786451) is 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile is Cc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)c(C)n1.
What is the InChIKey of 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile?
The InChIKey is HVZTZIMMXZQCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-11-13(2)20-14(3)18(12)15(4)21-17-7-5-16(6-8-17)9-10-19/h5-8,11,15,21H,9H2,1-4H3.
What are the key properties of 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile?
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile has a molecular weight of 279.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 43786451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).